Y600-2713 Screening compound: 4-{[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino]methyl}-1-benzenesulfonamide

Y600-2713 Screening compound: 4-{[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino]methyl}-1-benzenesulfonamide
Y600-2713 Screening compound: 4-{[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino]methyl}-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-2713
4-{[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino]methyl}-1-benzenesulfonamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y600-2713

Molecular Formula

C21H22N6O4S (C21 H22 N6 O4 S)

Compound Name

4-{[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino]methyl}-1-benzenesulfonamide

IUPAC name

4-{[(7-benzyl-13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl)amino]methyl}benzene-1-sulfonamide

SMILES

CN(c1c(C(N2C)=O)n(Cc3ccccc3)c(NCc(cc3)ccc3S(N)(=O)=O)n1)C2=O

InChI

InChI=1S/C21H22N6O4S/c1-25-18-17(19(28)26(2)21(25)29)27(13-15-6-4-3-5-7-15)20(24-18)23-12-14-8-10-16(11-9-14)32(22,30)31/h3-11H,12-13H2,1-2H3,(H,23,24)(H2,22,30,31)

InChI Key

MQWJYVBRTHCYGU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.925

Distribution Coefficient, logD

1.924

Water Solubility, LogSw

-2.51

Polar Surface Area

105.449

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

Y600-2713 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y600-2713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-2713?
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What is the minimum amount of Y600-2713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-2713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-2713
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y600-2713 available by request